2-(Methoxymethoxy)-4-(methylsulfanyl)butanenitrile
Basic information
- CAS
476301-91-4- Standard SMILES
COCOC(C#N)CCSC- InChIKey
QVACGOIWFPTKAG-UHFFFAOYSA-N- Molecular formula
- C7H13NO2S
- Average molar mass
- 175.25 g/mol
- Monoisotopic mass
- 175.06669983
Names & identifiers
- Preferred name
- 2-(Methoxymethoxy)-4-(methylsulfanyl)butanenitrile
- IUPAC
- 2-(methoxymethoxy)-4-methylsulfanylbutanenitrile
Names & synonyms
476301-91-42-(Methoxymethoxy)-4-(methylthio)butanenitrile2-(Methoxymethoxy)-4-(methylsulfanyl)butanenitrileSCHEMBL7572651DTXSID60591202
Database identifiers
- CAS
476301-91-4- PubChem CID
- 17838883
- DTXSID
DTXSID60591202
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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